[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitro-benzoate

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitro-benzoate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-11-6-8-13(9-7-11)17-19-15(26-20-17)10-25-18(22)14-5-3-4-12(2)16(14)21(23)24/h3-9H,10H2,1-2H3